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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 1' and Ligand = 'BDBM50433192'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50433192
PNG
(CHEMBL2375448)
Show SMILES COC(=O)CCCCCNC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O)C(=O)OC)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 |r,t:21|
Show InChI InChI=1S/C44H71NO10/c1-39(2)20-22-44(38(51)45-24-12-10-11-13-31(46)52-8)23-21-42(6)26(27(44)25-39)14-15-29-41(5)18-17-30(40(3,4)28(41)16-19-43(29,42)7)54-37-34(49)32(47)33(48)35(55-37)36(50)53-9/h14,27-30,32-35,37,47-49H,10-13,15-25H2,1-9H3,(H,45,51)/t27-,28-,29+,30-,32-,33-,34-,35-,37-,41-,42+,43+,44-/m0/s1
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Similars
Article
PubMed
n/an/a 1.22E+4n/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) expressed in Escherichia coli expression system using p-nitrophenyl phosphate as substrate assessed as release o...

Eur J Med Chem 63: 511-22 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.001
BindingDB Entry DOI: 10.7270/Q27S7Q59
More data for this
Ligand-Target Pair